(4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one

C8H8FN3O — CID 130916233

IUPAC(4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2cccnc2F)N1
InChIInChI=1S/C8H8FN3O/c9-7-5(2-1-3-10-7)6-4-11-8(13)12-6/h1-3,6H,4H2,(H2,11,12,13)/t6-/m1/s1
InChIKeyRQWDMTJLDAKLOA-ZCFIWIBFSA-N
MW181.17 g/mol
LogP0.57
Rot. Bonds1

About (4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one

(4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one (PubChem CID 130916233) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is (4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one
PubChem CID130916233
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Name(4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2cccnc2F)N1
InChIInChI=1S/C8H8FN3O/c9-7-5(2-1-3-10-7)6-4-11-8(13)12-6/h1-3,6H,4H2,(H2,11,12,13)/t6-/m1/s1
InChIKeyRQWDMTJLDAKLOA-ZCFIWIBFSA-N
XLogP0.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-aziridin-2-yl]-2-fluoropyridine
CID 55263159
3-[(2S)-azetidin-2-yl]-2-fluoropyridine
CID 55278495
(4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one
CID 130707431
2-fluoro-3-[(2S)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171196297
(2R)-2-(2-fluoro-3-pyridinyl)piperazine
CID 131149861
(4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one
CID 171252704
3-(4-cyclopropylcyclohexyl)-2-fluoropyridine
CID 177327571
(4R)-4-(2-fluoro-4-hydroxyphenyl)imidazolidin-2-one
CID 131037955
(4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one
CID 131078848
2-fluoro-3-(oxolan-2-yl)pyridine
CID 67168066
(4R)-4-(2,3-dimethoxyphenyl)imidazolidin-2-one
CID 171252494
4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one
CID 59327010

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one (CID 130916233) is (4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one is O=C1NC[C@H](c2cccnc2F)N1.
What is the InChIKey of (4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one?
The InChIKey is RQWDMTJLDAKLOA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8FN3O/c9-7-5(2-1-3-10-7)6-4-11-8(13)12-6/h1-3,6H,4H2,(H2,11,12,13)/t6-/m1/s1.
What are the key properties of (4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one?
(4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one has a molecular weight of 181.17 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 130916233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).